5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine

C12H19N3O — CID 117231619

IUPAC5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine
SMILESCCOc1cnc(CC2CCCCN2)nc1
InChIInChI=1S/C12H19N3O/c1-2-16-11-8-14-12(15-9-11)7-10-5-3-4-6-13-10/h8-10,13H,2-7H2,1H3
InChIKeyNYMXXEDSOHGQEL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.56
Rot. Bonds4

About 5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine

5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine (PubChem CID 117231619) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine
PubChem CID117231619
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine
SMILESCCOc1cnc(CC2CCCCN2)nc1
InChIInChI=1S/C12H19N3O/c1-2-16-11-8-14-12(15-9-11)7-10-5-3-4-6-13-10/h8-10,13H,2-7H2,1H3
InChIKeyNYMXXEDSOHGQEL-UHFFFAOYSA-N
XLogP1.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231656
5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 117231618
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine
CID 117231622
2-(piperidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 84735082
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915
2-(piperidin-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 84698905
5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 84657560
2-(2H-tetrazol-5-ylmethyl)piperidine
CID 84652779
4-ethyl-5-methyl-6-(piperidin-2-ylmethyl)pyrimidine
CID 83849476
2-(piperidin-2-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 105493342
3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 54384732

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine?
The IUPAC name of 5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine (CID 117231619) is 5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine.
What is the SMILES notation for 5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine?
The canonical SMILES for 5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine is CCOc1cnc(CC2CCCCN2)nc1.
What is the InChIKey of 5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine?
The InChIKey is NYMXXEDSOHGQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-16-11-8-14-12(15-9-11)7-10-5-3-4-6-13-10/h8-10,13H,2-7H2,1H3.
What are the key properties of 5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine?
5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine has a molecular weight of 221.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine is sourced from PubChem (CID 117231619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).